3-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide

C16H22ClNO2 — CID 107097792

IUPAC3-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
SMILESCc1c(Cl)cccc1C(=O)NCC1(O)CCCCCC1
InChIInChI=1S/C16H22ClNO2/c1-12-13(7-6-8-14(12)17)15(19)18-11-16(20)9-4-2-3-5-10-16/h6-8,20H,2-5,9-11H2,1H3,(H,18,19)
InChIKeyWNGBLUXFLCTZGW-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.46
Rot. Bonds3

About 3-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide

3-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide (PubChem CID 107097792) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 3-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
PubChem CID107097792
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name3-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
SMILESCc1c(Cl)cccc1C(=O)NCC1(O)CCCCCC1
InChIInChI=1S/C16H22ClNO2/c1-12-13(7-6-8-14(12)17)15(19)18-11-16(20)9-4-2-3-5-10-16/h6-8,20H,2-5,9-11H2,1H3,(H,18,19)
InChIKeyWNGBLUXFLCTZGW-UHFFFAOYSA-N
XLogP3.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 65103774
3-chloro-N-[(3-hydroxyazetidin-3-yl)methyl]-2-methylbenzamide
CID 114189517
2-amino-3-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 115540784
3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 107097791
2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 65113571
N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 22267456
2,6-dichloro-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113651
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-3-chloro-2-methylbenzamide
CID 107100287
2,3-dihydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 114344927
2-chloro-N-[(1-hydroxycycloheptyl)methyl]-4-methylbenzamide
CID 106509758
2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-3-methylbenzamide
CID 80711895
N-[[1-(chloromethyl)cyclohexyl]methyl]-2,3-dimethylbenzamide
CID 103969399

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide?
The IUPAC name of 3-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide (CID 107097792) is 3-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide.
What is the SMILES notation for 3-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide?
The canonical SMILES for 3-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide is Cc1c(Cl)cccc1C(=O)NCC1(O)CCCCCC1.
What is the InChIKey of 3-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide?
The InChIKey is WNGBLUXFLCTZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-12-13(7-6-8-14(12)17)15(19)18-11-16(20)9-4-2-3-5-10-16/h6-8,20H,2-5,9-11H2,1H3,(H,18,19).
What are the key properties of 3-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide?
3-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide has a molecular weight of 295.81 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide is sourced from PubChem (CID 107097792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).